| SpectraBase Spectrum ID |
9G2m4A02Qt1 |
| Name |
5-((1S,2R,4ar)-5-(Acetoxymethyl)-1,2,4A-trimethyl-1,2,3,4,4A,7,8,8A-octahydronaphthalen-1-yl)-3-methylpentanoic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.261359635 u |
| Formula |
C22H36O4 |
| InChI |
InChI=1S/C22H36O4/c1-15(13-20(24)25)9-11-21(4)16(2)10-12-22(5)18(14-26-17(3)23)7-6-8-19(21)22/h7,15-16,19H,6,8-14H2,1-5H3,(H,24,25)/t15-,16+,19+,21-,22-/m0/s1 |
| InChIKey |
QSEIUMVWJJWZJP-NEFXFJPUSA-N |
| Molecular Weight |
364.526 g/mol |
| SMILES |
C1C=C([C@@]2(CC[C@]([C@@]([C@]2(C1)[H])(CC[C@@](CC(O)=O)(C)[H])C)(C)[H])C)COC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.832216 |
